Boronicacid, B-[4-[[(2,3-dimethylphenyl)amino]carbonyl]phenyl]- supplier

Name
4-(2,3-DIMETHYLPHENYLCARBAMOYL)PHENYLBORONIC ACID
EINECS
CAS No. 913835-36-6
Density 1.22g/cm³
Solubility
Melting Point
Formula C₁₅H₁₆BNO₃
Boiling Point
Molecular Weight 269.10344
Flash Point
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols Xi
Synonyms Boronicacid, [4-[[(2,3-dimethylphenyl)amino]carbonyl]phenyl]- (9CI);
PSA 69.56000
LogP 1.30850

Boronicacid, B-[4-[[(2,3-dimethylphenyl)amino]carbonyl]phenyl]- Specification

The Boronicacid, B-[4-[[(2,3-dimethylphenyl)amino]carbonyl]phenyl]-, with CAS registry number 913835-36-6, belongs to the following product categories: (1)Blocks; (2)Boronic Acids. It has the systematic name of [4-[(2,3-dimethylphenyl)carbamoyl]phenyl]boronic acid. And the chemical formula of this chemical is C₁₅H₁₆BNO₃.

Physical properties of Boronicacid, B-[4-[[(2,3-dimethylphenyl)amino]carbonyl]phenyl]-: (1)ACD/LogP: 2.91; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.91; (4)ACD/LogD (pH 7.4): 2.82; (5)#H bond acceptors: 4; (6)#H bond donors: 3; (7)#Freely Rotating Bonds: 5; (8)Polar Surface Area: 69.56 Å²; (9)Index of Refraction: 1.604; (10)Molar Refractivity: 75.63 cm³; (11)Molar Volume: 219.8 cm³; (12)Polarizability: 29.98×10^-24cm³; (13)Surface Tension: 53.2 dyne/cm; (14)Density: 1.22 g/cm³.

You can still convert the following datas into molecular structure:
(1)SMILES: B(c1ccc(cc1)C(=O)Nc2cccc(c2C)C)(O)O
(2)InChI: InChI=1/C15H16BNO3/c1-10-4-3-5-14(11(10)2)17-15(18)12-6-8-13(9-7-12)16(19)20/h3-9,19-20H,1-2H3,(H,17,18)
(3)InChIKey: XMQJSFXFADVYRR-UHFFFAOYAY
(4)Std. InChI: InChI=1S/C15H16BNO3/c1-10-4-3-5-14(11(10)2)17-15(18)12-6-8-13(9-7-12)16(19)20/h3-9,19-20H,1-2H3,(H,17,18)
(5)Std. InChIKey: XMQJSFXFADVYRR-UHFFFAOYSA-N

Product Name

4-(2,3-DIMETHYLPHENYLCARBAMOYL)PHENYLBORONIC ACID

Boronicacid, B-[4-[[(2,3-dimethylphenyl)amino]carbonyl]phenyl]- Specification

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